N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(2-oxidanylideneazepan-1-yl)propanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(2-oxidanylideneazepan-1-yl)propanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(2-oxoazepan-1-yl)propanamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-3-(2-oxo-1-azepanyl)propanamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(2-oxoazepan-1-yl)propanamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(2-ketoazepan-1-yl)propionamide Formula: C21H38N3O2+ MolecularWeight: 364.54532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)CCN3CCCCCC3=O

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)CCN3CCCCCC3=O

InChI

InChI=1S/C21H37N3O2/c25-20(12-15-24-14-6-2-5-11-21(24)26)22-19-10-7-13-23(17-19)16-18-8-3-1-4-9-18/h18-19H,1-17H2,(H,22,25)/p+1/t19-/m0/s1