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

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(cyclohexylcarbamoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c27-21(12-13-23-22(28)25-20-6-2-1-3-7-20)24-16-18-8-10-19(11-9-18)17-26-14-4-5-15-26/h8-11,20H,1-7,12-17H2,(H,24,27)(H2,23,25,28)/p+1