[1-(2-methylpropyl)piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(2-methylpropyl)piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1-isobutylpiperidin-1-ium-4-yl)methanone CAS Name: [1-(2-methylpropyl)-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(2-methylpropyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1-isobutylpiperidin-1-ium-4-yl)methanone Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O/c1-18(2)16-22-10-8-20(9-11-22)21(25)24-14-12-23(13-15-24)17-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3/p+2