1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C25H31N3O3/c1-18-14-23(30-2)24(31-3)15-20(18)17-27-10-12-28(13-11-27)25(29)9-8-19-16-26-22-7-5-4-6-21(19)22/h4-7,14-16,26H,8-13,17H2,1-3H3/p+1