N-[(2S)-3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2-furamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H29N3O3/c1-18(2)23(26-24(29)22-11-6-16-31-22)25(30)28-14-12-27(13-15-28)17-20-9-5-8-19-7-3-4-10-21(19)20/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1