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

Systemtic Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol Openeye Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol CAS Name: (1S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanol IUPAC Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol Traditional Name: (1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(C3=C(NC4=CC=CC=C43)C)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C[C@H](C3=C(NC4=CC=CC=C43)C)O)C

InChI

InChI=1S/C23H29N3O/c1-16-7-6-10-21(17(16)2)26-13-11-25(12-14-26)15-22(27)23-18(3)24-20-9-5-4-8-19(20)23/h4-10,22,24,27H,11-15H2,1-3H3/p+1/t22-/m1/s1