(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol

Systemtic Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Openeye Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol CAS Name: (1S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(5-methoxy-1H-indol-3-yl)ethanol IUPAC Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Traditional Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(C3=CNC4=C3C=C(C=C4)OC)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C[C@H](C3=CNC4=C3C=C(C=C4)OC)O)C

InChI

InChI=1S/C23H29N3O2/c1-16-5-4-6-22(17(16)2)26-11-9-25(10-12-26)15-23(27)20-14-24-21-8-7-18(28-3)13-19(20)21/h4-8,13-14,23-24,27H,9-12,15H2,1-3H3/p+1/t23-/m1/s1