[4-(diphenylmethyl)piperazin-1-yl]-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C31H38N3O3+ MolecularWeight: 500.65172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N3O3/c1-37-28-14-8-13-27(30(28)35)23-32-17-15-26(16-18-32)31(36)34-21-19-33(20-22-34)29(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,26,29,35H,15-23H2,1H3/p+1