2-methyl-N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]propanamide

Systemtic Name: 2-methyl-N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]propanamide Openeye Name: 2-methyl-N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]propanamide CAS Name: 2-methyl-N-[2-[[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]amino]ethyl]propanamide IUPAC Name: 2-methyl-N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]propanamide Traditional Name: 2-methyl-N-[2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoylamino]ethyl]propionamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C20H32N4O2/c1-16(2)19(25)21-10-11-22-20(26)23-14-17-6-8-18(9-7-17)15-24-12-4-3-5-13-24/h6-9,16H,3-5,10-15H2,1-2H3,(H,21,25)(H2,22,23,26)/p+1