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

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C(C)C)C

InChI

InChI=1S/C22H31N3O/c1-16(2)25-18(4)14-21(19(25)5)22(26)24-12-10-23(11-13-24)15-20-9-7-6-8-17(20)3/h6-9,14,16H,10-13,15H2,1-5H3/p+1