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

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-methoxy-3-oxo-propyl)ammonium CAS Name: (3-methoxy-3-oxopropyl)-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-methoxy-3-oxopropyl)-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-keto-3-methoxy-propyl)ammonium Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[NH2+]C1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCC3

InChI

InChI=1S/C20H30N4O3/c1-3-11-24-17-8-7-15(21-10-9-18(25)27-2)14-16(17)19(22-24)20(26)23-12-5-4-6-13-23/h3,15,21H,1,4-14H2,2H3/p+1/t15-/m0/s1