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

Systemtic Name: 3-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[(3S)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[(3S)-3-[4-(3-chlorophenyl)piperazino]piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C24H30ClN4+ MolecularWeight: 409.9748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CNC3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H29ClN4/c25-20-5-3-6-21(15-20)28-11-13-29(14-12-28)22-7-4-10-27(18-22)17-19-16-26-24-9-2-1-8-23(19)24/h1-3,5-6,8-9,15-16,22,26H,4,7,10-14,17-18H2/p+1/t22-/m0/s1