N-methyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-methyl-2-[4-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C19H30N5O3+ MolecularWeight: 376.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC

InChI

InChI=1S/C19H29N5O3/c1-14(2)22-19(27)21-12-15-4-6-16(7-5-15)18(26)24-10-8-23(9-11-24)13-17(25)20-3/h4-7,14H,8-13H2,1-3H3,(H,20,25)(H2,21,22,27)/p+1