[(1S)-1-[1-(3-methoxycarbonylphenyl)carbonylpiperidin-4-yl]-2-phenyl-ethyl]-methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(1S)-1-[1-(3-methoxycarbonylphenyl)carbonylpiperidin-4-yl]-2-phenyl-ethyl]-methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-[1-(3-methoxycarbonylbenzoyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-[1-[(3-methoxycarbonylphenyl)-oxomethyl]-4-piperidinyl]-2-phenylethyl]-methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-[1-(3-methoxycarbonylbenzoyl)piperidin-4-yl]-2-phenylethyl]-methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-[1-(3-carbomethoxybenzoyl)-4-piperidyl]-2-phenyl-ethyl]-methyl-(4-pyridylmethyl)ammonium Formula: C29H34N3O3+ MolecularWeight: 472.59856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C29H33N3O3/c1-31(21-23-11-15-30-16-12-23)27(19-22-7-4-3-5-8-22)24-13-17-32(18-14-24)28(33)25-9-6-10-26(20-25)29(34)35-2/h3-12,15-16,20,24,27H,13-14,17-19,21H2,1-2H3/p+1/t27-/m0/s1