1-(3-chlorophenyl)-4-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]piperazine Formula: C25H35ClN3O2+ MolecularWeight: 445.0173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C25H34ClN3O2/c1-3-31-25-16-20(9-10-24(25)30-2)18-27-11-5-8-23(19-27)29-14-12-28(13-15-29)22-7-4-6-21(26)17-22/h4,6-7,9-10,16-17,23H,3,5,8,11-15,18-19H2,1-2H3/p+1/t23-/m0/s1