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

Systemtic Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole Openeye Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole CAS Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-3-methyl-1H-indole IUPAC Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole Traditional Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H34N4O/c1-20-24-7-3-4-8-25(24)27-26(20)19-28-13-5-6-22(18-28)30-16-14-29(15-17-30)21-9-11-23(31-2)12-10-21/h3-4,7-12,22,27H,5-6,13-19H2,1-2H3/p+1/t22-/m0/s1