ethyl N-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[4-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N3O3/c1-3-28-22(27)23-20-9-7-19(8-10-20)21(26)25-13-11-24(12-14-25)16-18-6-4-5-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,27)/p+1