[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]methanone Formula: C27H39N3O+2 MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O/c1-22(2)25-10-8-24(9-11-25)21-28-14-12-26(13-15-28)27(31)30-18-16-29(17-19-30)20-23-6-4-3-5-7-23/h3-11,22,26H,12-21H2,1-2H3/p+2