(3S,6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-[3-(1-imidazolyl)propyl]-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(3-imidazol-1-ylpropyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C13H23N4O+ MolecularWeight: 251.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NCCCN2C=CN=C2

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C13H22N4O/c1-11-3-4-12(9-16-11)13(18)15-5-2-7-17-8-6-14-10-17/h6,8,10-12,16H,2-5,7,9H2,1H3,(H,15,18)/p+1/t11-,12-/m0/s1