1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[(2-methyl-5-propyl-3-pyrazolyl)-oxomethyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-methyl-5-propylpyrazole-3-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(2-methyl-5-propyl-pyrazole-3-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C19H32N5O2+ MolecularWeight: 362.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCC3)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC(=O)N(CC2)CC[NH+]3CCCC3)C

InChI

InChI=1S/C19H31N5O2/c1-3-6-16-15-17(21(2)20-16)19(26)24-10-7-18(25)23(13-14-24)12-11-22-8-4-5-9-22/h15H,3-14H2,1-2H3/p+1