(3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(E)-4-methylpent-2-enyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC[NH+]1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CC=NN3

Isomeric SMILES

CC(C)/C=C/C[NH+]1CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=NN3

InChI

InChI=1S/C21H28N4O/c1-16(2)5-3-13-25-14-4-6-18(15-25)21(26)23-19-9-7-17(8-10-19)20-11-12-22-24-20/h3,5,7-12,16,18H,4,6,13-15H2,1-2H3,(H,22,24)(H,23,26)/p+1/b5-3+/t18-/m0/s1