[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-ethoxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-ethoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C27H39N3O3+2 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H37N3O3/c1-3-33-25-10-9-23(19-26(25)32-2)21-28-13-11-24(12-14-28)27(31)30-17-15-29(16-18-30)20-22-7-5-4-6-8-22/h4-10,19,24H,3,11-18,20-21H2,1-2H3/p+2