[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone Openeye Name: [4-(o-tolylmethyl)piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)-2-furyl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[5-(1-piperidin-1-iumylmethyl)-2-furanyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(piperidin-1-ium-1-ylmethyl)furan-2-yl]methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-[5-(piperidin-1-ium-1-ylmethyl)-2-furyl]methanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(O3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(O3)C[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3O2/c1-19-7-3-4-8-20(19)17-25-13-15-26(16-14-25)23(27)22-10-9-21(28-22)18-24-11-5-2-6-12-24/h3-4,7-10H,2,5-6,11-18H2,1H3/p+1