[(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(3R,5S)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1R,3S)-1-(azaniumylmethyl)-1-ethyl-3-methyl-pentyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(3R,5S)-3-(ammoniomethyl)-5-methylheptan-3-yl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3-(azaniumylmethyl)-5-methylheptan-3-yl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1R,3S)-1-(ammoniomethyl)-1-ethyl-3-methyl-pentyl]-methyl-(4-methylbenzyl)ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C[NH3+])[NH+](C)CC1=CC=C(C=C1)C

Isomeric SMILES

CC[C@H](C)C[C@](CC)(C[NH3+])[NH+](C)CC1=CC=C(C=C1)C

InChI

InChI=1S/C18H32N2/c1-6-15(3)12-18(7-2,14-19)20(5)13-17-10-8-16(4)9-11-17/h8-11,15H,6-7,12-14,19H2,1-5H3/p+2/t15-,18+/m0/s1