1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(4-pyridyl)propan-1-one Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C24H32N4O2/c1-30-23-7-3-2-6-22(23)27-17-15-26(16-18-27)21-5-4-14-28(19-21)24(29)9-8-20-10-12-25-13-11-20/h2-3,6-7,10-13,21H,4-5,8-9,14-19H2,1H3/p+1/t21-/m0/s1