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

Systemtic Name: 2-diethylaminoethyl-[(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]-(2-diethylaminoethyl)ammonium CAS Name: 2-diethylaminoethyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-diethylaminoethyl-[(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]-(2-diethylaminoethyl)ammonium Formula: C22H38N5O+ MolecularWeight: 388.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N5O/c1-4-13-27-20-11-10-18(23-12-16-25(5-2)6-3)17-19(20)21(24-27)22(28)26-14-8-7-9-15-26/h4,18,23H,1,5-17H2,2-3H3/p+1/t18-/m0/s1