N-[(3S)-2-oxidanylideneazepan-3-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-(1-piperidin-1-iumyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NC4CCCCNC4=O

Isomeric SMILES

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C21H29N3O2/c25-19-18(10-4-5-11-22-19)23-20(26)21(24-12-6-1-7-13-24)14-16-8-2-3-9-17(16)15-21/h2-3,8-9,18H,1,4-7,10-15H2,(H,22,25)(H,23,26)/p+1/t18-/m0/s1