[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H28N4O/c1-18-6-4-7-19(16-18)17-24-12-14-26(15-13-24)22(27)20-8-5-9-23-21(20)25-10-2-3-11-25/h4-9,16H,2-3,10-15,17H2,1H3/p+2