1-(2-methoxyphenyl)-4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-phenethyl-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperazine Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O/c1-28-24-12-6-5-11-23(24)27-18-16-26(17-19-27)22-10-7-14-25(20-22)15-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-20H2,1H3/p+1/t22-/m0/s1