2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H32N4O/c1-30-24-10-8-22(9-11-24)28-13-15-29(16-14-28)23-6-4-12-27(19-23)18-21-17-20-5-2-3-7-25(20)26-21/h2-3,5,7-11,17,23,26H,4,6,12-16,18-19H2,1H3/p+1/t23-/m0/s1