(3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C18H33N5O+2 MolecularWeight: 335.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=NC=CN3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=NC=CN3

InChI

InChI=1S/C18H31N5O/c1-14(2)22-10-5-16(6-11-22)23-9-3-4-15(13-23)18(24)21-12-17-19-7-8-20-17/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,19,20)(H,21,24)/p+2/t15-/m0/s1