N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H34N4O2/c1-16(2)24-21(27)23-15-18-5-7-19(8-6-18)20(26)22-11-4-12-25-13-9-17(3)10-14-25/h5-8,16-17H,4,9-15H2,1-3H3,(H,22,26)(H2,23,24,27)/p+1