8-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]quinoline CAS Name: 8-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]quinoline Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H32N4O/c1-31-25-11-9-23(10-12-25)29-15-17-30(18-16-29)24-8-4-14-28(20-24)19-22-6-2-5-21-7-3-13-27-26(21)22/h2-3,5-7,9-13,24H,4,8,14-20H2,1H3/p+1/t24-/m0/s1