[(3S)-4-[3-azanyl-2-(naphthalen-2-ylmethylamino)propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone trihydrochloride

Systemtic Name: [(3S)-4-[3-azanyl-2-(naphthalen-2-ylmethylamino)propyl]-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone trihydrochloride Openeye Name: [(3S)-4-[3-amino-2-(2-naphthylmethylamino)propyl]-3-butyl-piperazin-1-yl]-(1-naphthyl)methanone trihydrochloride CAS Name: [(3S)-4-[3-amino-2-(2-naphthalenylmethylamino)propyl]-3-butyl-1-piperazinyl]-(1-naphthalenyl)methanone trihydrochloride IUPAC Name: [(3S)-4-[3-amino-2-(naphthalen-2-ylmethylamino)propyl]-3-butylpiperazin-1-yl]-naphthalen-1-ylmethanone trihydrochloride Traditional Name: [(3S)-4-[3-amino-2-(2-naphthylmethylamino)propyl]-3-butyl-piperazino]-(1-naphthyl)methanone trihydrochloride Formula: C33H43Cl3N4O MolecularWeight: 618.07972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CN)NCC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl.Cl

Isomeric SMILES

CCCC[C@H]1CN(CCN1CC(CN)NCC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC5=CC=CC=C54.Cl.Cl.Cl

InChI

InChI=1S/C33H40N4O.3ClH/c1-2-3-13-30-24-37(33(38)32-15-8-12-27-10-6-7-14-31(27)32)19-18-36(30)23-29(21-34)35-22-25-16-17-26-9-4-5-11-28(26)20-25;;;/h4-12,14-17,20,29-30,35H,2-3,13,18-19,21-24,34H2,1H3;3*1H/t29?,30-;;;/m0.../s1