(3R)-3-[(4-octylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[(4-octylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[(4-octylphenyl)carbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[(4-octylanilino)-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(4-octylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[(4-octylphenyl)carbamoylamino]-4-(trimethylammonio)butyrate Formula: C22H37N3O3 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C22H37N3O3/c1-5-6-7-8-9-10-11-18-12-14-19(15-13-18)23-22(28)24-20(16-21(26)27)17-25(2,3)4/h12-15,20H,5-11,16-17H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1