(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-16-13-20(17(2)26(16)19-6-7-19)23(27)25-11-9-24(10-12-25)15-18-5-8-21(28-3)22(14-18)29-4/h5,8,13-14,19H,6-7,9-12,15H2,1-4H3/p+1