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

Systemtic Name: [(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(1-naphthalenylmethyl)-3-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[(3S)-1-(1-naphthylmethyl)piperidin-1-ium-3-yl]methanone Formula: C29H35N2O+ MolecularWeight: 427.601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=CC=CC=C32)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N2O/c32-29(31-18-15-24(16-19-31)20-23-8-2-1-3-9-23)27-13-7-17-30(22-27)21-26-12-6-11-25-10-4-5-14-28(25)26/h1-6,8-12,14,24,27H,7,13,15-22H2/p+1/t27-/m0/s1