N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(2-oxidanylidenepiperidin-1-yl)propanamide

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(2-oxidanylidenepiperidin-1-yl)propanamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(2-oxo-1-piperidyl)propanamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-3-(2-oxo-1-piperidinyl)propanamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(2-oxopiperidin-1-yl)propanamide Traditional Name: 3-(2-ketopiperidino)-N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]propionamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)CCN3CCCCC3=O

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CCN3CCCCC3=O

InChI

InChI=1S/C21H31N3O3/c1-27-19-8-4-6-17(14-19)15-23-11-5-7-18(16-23)22-20(25)10-13-24-12-3-2-9-21(24)26/h4,6,8,14,18H,2-3,5,7,9-13,15-16H2,1H3,(H,22,25)/p+1/t18-/m0/s1