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

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinolin-3-yl-methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(3-quinolyl)methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(3-quinolinyl)methanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinolin-3-ylmethanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(3-quinolyl)methanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H30N4O2/c1-32-24-10-8-22(9-11-24)28-13-15-29(16-14-28)23-6-4-12-30(19-23)26(31)21-17-20-5-2-3-7-25(20)27-18-21/h2-3,5,7-11,17-18,23H,4,6,12-16,19H2,1H3/p+1/t23-/m0/s1