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

Systemtic Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole Openeye Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole CAS Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-3-methyl-1H-indole IUPAC Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-1H-indole Traditional Name: 2-[[(3S)-3-[4-(2-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=CC=C5OC

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H34N4O/c1-20-22-9-3-4-10-23(22)27-24(20)19-28-13-7-8-21(18-28)29-14-16-30(17-15-29)25-11-5-6-12-26(25)31-2/h3-6,9-12,21,27H,7-8,13-19H2,1-2H3/p+1/t21-/m0/s1