cyclopropylmethyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(cyclopropylmethyl)-propyl-ammonium CAS Name: cyclopropylmethyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propylammonium IUPAC Name: cyclopropylmethyl-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-propylazanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(cyclopropylmethyl)-propyl-ammonium Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

Isomeric SMILES

CCC[NH+](CC1CC1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCC4

InChI

InChI=1S/C23H36N4O/c1-3-12-26(17-18-8-9-18)19-10-11-21-20(16-19)22(24-27(21)13-4-2)23(28)25-14-6-5-7-15-25/h4,18-19H,2-3,5-17H2,1H3/p+1/t19-/m0/s1