(3S)-N-methyl-N-(phenylmethyl)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-(phenylmethyl)-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-N-methyl-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-methyl-N-(phenylmethyl)-1-(1-propyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-N-methyl-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-N-methyl-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCCC(C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-3-13-24-15-11-21(12-16-24)25-14-7-10-20(18-25)22(26)23(2)17-19-8-5-4-6-9-19/h4-6,8-9,20-21H,3,7,10-18H2,1-2H3/p+1/t20-/m0/s1