(4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (4-dimethylaminophenyl)-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H34N4O2/c1-26(2)21-8-6-20(7-9-21)25(30)29-14-4-5-23(19-29)28-17-15-27(16-18-28)22-10-12-24(31-3)13-11-22/h6-13,23H,4-5,14-19H2,1-3H3/p+1/t23-/m0/s1