(3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C21H39N5O+2 MolecularWeight: 377.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1)C)CCNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H37N5O/c1-15(2)25-12-8-19(9-13-25)26-11-5-6-18(14-26)21(27)22-10-7-20-16(3)23-24-17(20)4/h15,18-19H,5-14H2,1-4H3,(H,22,27)(H,23,24)/p+2/t18-/m0/s1