1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium CAS Name: 1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(4-phenylcyclohexyl)-1,4-diazepan-4-ium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1CCC[NH+](CC1)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-19-12-5-13-20(15-14-19)18-10-8-17(9-11-18)16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3/p+1