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

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N3O2/c1-16(2)25-17(3)14-21(18(25)4)22(26)24-12-10-23(11-13-24)15-19-6-8-20(27-5)9-7-19/h6-9,14,16H,10-13,15H2,1-5H3/p+1