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

Systemtic Name: (3R)-3-[(4-heptoxyphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[(4-heptoxyphenyl)carbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[(4-heptoxyanilino)-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(4-heptoxyphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[(4-heptoxyphenyl)carbamoylamino]-4-(trimethylammonio)butyrate Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C21H35N3O4/c1-5-6-7-8-9-14-28-19-12-10-17(11-13-19)22-21(27)23-18(15-20(25)26)16-24(2,3)4/h10-13,18H,5-9,14-16H2,1-4H3,(H2-,22,23,25,26,27)/t18-/m1/s1