[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[1-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-p-anisylpiperidin-1-ium-4-yl)methanone Formula: C31H39N3O2+2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N3O2/c1-36-29-14-12-25(13-15-29)24-32-18-16-28(17-19-32)31(35)34-22-20-33(21-23-34)30(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,28,30H,16-24H2,1H3/p+2