4-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-[[(cyclohexylamino)-oxomethyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(cyclohexylcarbamoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H36N4O2/c28-22(9-6-14-24-23(29)26-21-7-2-1-3-8-21)25-17-19-10-12-20(13-11-19)18-27-15-4-5-16-27/h10-13,21H,1-9,14-18H2,(H,25,28)(H2,24,26,29)/p+1