(3R)-3-[(1-phenethylpiperidin-1-ium-4-yl)amino]azepan-2-one

Systemtic Name: (3R)-3-[(1-phenethylpiperidin-1-ium-4-yl)amino]azepan-2-one Openeye Name: (3R)-3-[(1-phenethylpiperidin-1-ium-4-yl)amino]azepan-2-one CAS Name: (3R)-3-[(1-phenethyl-4-piperidin-1-iumyl)amino]-2-azepanone IUPAC Name: (3R)-3-[(1-phenethylpiperidin-1-ium-4-yl)amino]azepan-2-one Traditional Name: (3R)-3-[(1-phenethylpiperidin-1-ium-4-yl)amino]azepan-2-one Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O/c23-19-18(8-4-5-12-20-19)21-17-10-14-22(15-11-17)13-9-16-6-2-1-3-7-16/h1-3,6-7,17-18,21H,4-5,8-15H2,(H,20,23)/p+1/t18-/m1/s1