azepan-1-yl-[(5S)-5-(4-methylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[(5S)-5-(4-methylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [(5S)-1-allyl-5-(4-methylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[(5S)-5-(4-methyl-1-piperidin-1-iumyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5S)-5-(4-methylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [(5S)-1-allyl-5-(4-methylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H36N4O/c1-3-12-27-21-9-8-19(25-15-10-18(2)11-16-25)17-20(21)22(24-27)23(28)26-13-6-4-5-7-14-26/h3,18-19H,1,4-17H2,2H3/p+1/t19-/m0/s1