1-[(3S)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(3-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-(3-ethoxybenzyl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c1-3-30-25-8-4-6-21(18-25)19-26-13-5-7-23(20-26)28-16-14-27(15-17-28)22-9-11-24(29-2)12-10-22/h4,6,8-12,18,23H,3,5,7,13-17,19-20H2,1-2H3/p+1/t23-/m0/s1