1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-1-propanone IUPAC Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O2/c1-32-25-10-8-24(9-11-25)29-18-20-30(21-19-29)26(31)12-15-27-13-5-14-28(17-16-27)22-23-6-3-2-4-7-23/h2-4,6-11H,5,12-22H2,1H3/p+1