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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H34N4O2/c1-16(2)24-21(27)23-15-18-8-10-19(11-9-18)20(26)22-12-6-14-25-13-5-4-7-17(25)3/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,22,26)(H2,23,24,27)/p+1/t17-/m0/s1