(4-methylpiperidin-1-yl)-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]methanone Openeye Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-methyl-1-piperidyl)methanone CAS Name: (4-methyl-1-piperidinyl)-[(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinyl]methanone IUPAC Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]-(4-methylpiperidino)methanone Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c1-20-9-16-26(17-10-20)24(28)22-8-5-13-27(19-22)23-11-14-25(15-12-23)18-21-6-3-2-4-7-21/h2-4,6-7,20,22-23H,5,8-19H2,1H3/p+1/t22-/m0/s1