2-azaniumylethyl-[1-[3-(4-methylphenyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-azaniumylethyl-[1-[3-(4-methylphenyl)phenyl]piperidin-4-yl]azanium Openeye Name: 2-azaniumylethyl-[1-[3-(p-tolyl)phenyl]-4-piperidyl]ammonium CAS Name: 2-ammonioethyl-[1-[3-(4-methylphenyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-azaniumylethyl-[1-[3-(4-methylphenyl)phenyl]piperidin-4-yl]azanium Traditional Name: 2-ammonioethyl-[1-[3-(p-tolyl)phenyl]-4-piperidyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CC[NH3+]

InChI

InChI=1S/C20H27N3/c1-16-5-7-17(8-6-16)18-3-2-4-20(15-18)23-13-9-19(10-14-23)22-12-11-21/h2-8,15,19,22H,9-14,21H2,1H3/p+2