[4-(azaniumylmethyl)-1-propan-2-yl-piperidin-4-yl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [4-(azaniumylmethyl)-1-propan-2-yl-piperidin-4-yl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [4-(azaniumylmethyl)-1-isopropyl-4-piperidyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [4-(ammoniomethyl)-1-propan-2-yl-4-piperidinyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [4-(azaniumylmethyl)-1-propan-2-ylpiperidin-4-yl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [4-(ammoniomethyl)-1-isopropyl-4-piperidyl]-methyl-(4-methylbenzyl)ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C2(CCN(CC2)C(C)C)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)C2(CCN(CC2)C(C)C)C[NH3+]

InChI

InChI=1S/C18H31N3/c1-15(2)21-11-9-18(14-19,10-12-21)20(4)13-17-7-5-16(3)6-8-17/h5-8,15H,9-14,19H2,1-4H3/p+2