[1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidin-4-yl]azanium Openeye Name: [1-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]-4-piperidyl]ammonium CAS Name: [1-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinyl]ammonium IUPAC Name: [1-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]piperidin-4-yl]azanium Traditional Name: [1-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]-4-piperidyl]ammonium Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC(CC3)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC(CC3)[NH3+]

InChI

InChI=1S/C18H28N4O/c1-15-3-2-4-17(13-15)21-11-9-20(10-12-21)14-18(23)22-7-5-16(19)6-8-22/h2-4,13,16H,5-12,14,19H2,1H3/p+2