1-[[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]urea CAS Name: 1-[[4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]benzyl]urea Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C22H33N5O3/c1-17(2)24-22(30)23-15-18-5-7-19(8-6-18)21(29)27-13-11-25(12-14-27)16-20(28)26-9-3-4-10-26/h5-8,17H,3-4,9-16H2,1-2H3,(H2,23,24,30)/p+1