[(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C18H35N3+2 MolecularWeight: 293.4906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(C23CC4CC(C2)CC(C4)C3)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](C23CC4CC(C2)CC(C4)C3)[NH3+]

InChI

InChI=1S/C18H33N3/c1-20-3-2-4-21(6-5-20)13-17(19)18-10-14-7-15(11-18)9-16(8-14)12-18/h14-17H,2-13,19H2,1H3/p+2/t14?,15?,16?,17-,18?/m1/s1