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

Systemtic Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-15-13-19(16(2)24(15)18-3-4-18)20(25)23-11-9-22(10-12-23)14-17-5-7-21-8-6-17/h5-8,13,18H,3-4,9-12,14H2,1-2H3/p+1