N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-19(26-24(29)21-9-3-2-4-10-21)25(30)28-16-14-27(15-17-28)18-22-12-7-11-20-8-5-6-13-23(20)22/h2-13,19H,14-18H2,1H3,(H,26,29)/p+1/t19-/m0/s1