[(1S)-1-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(1S)-1-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(1S)-1-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(1S)-1-(1-adamantyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(1S)-1-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(1S)-1-(1-adamantyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(C23CC4CC(C2)CC(C4)C3)[NH3+]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](C23CC4CC(C2)CC(C4)C3)[NH3+]

InChI

InChI=1S/C18H32N2/c1-13-3-2-4-20(11-13)12-17(19)18-8-14-5-15(9-18)7-16(6-14)10-18/h13-17H,2-12,19H2,1H3/p+2/t13-,14?,15?,16?,17+,18?/m0/s1