(2S)-2-azanyl-N-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]propanamide Openeye Name: (2S)-2-amino-N-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]propanamide CAS Name: (2S)-2-amino-N-[4-[(1,2-dimethyl-3-indolizin-4-iumylidene)amino]-3-methoxyphenyl]propanamide IUPAC Name: (2S)-2-amino-N-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxyphenyl]propanamide Traditional Name: (2S)-2-amino-N-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]propionamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=C(C=C2)NC(=O)C(C)N)OC)[N+]3=CC=CC=C13)C

Isomeric SMILES

CC1=C(C(=NC2=C(C=C(C=C2)NC(=O)[C@H](C)N)OC)[N+]3=CC=CC=C13)C

InChI

InChI=1S/C20H22N4O2/c1-12-13(2)19(24-10-6-5-7-17(12)24)23-16-9-8-15(11-18(16)26-4)22-20(25)14(3)21/h5-11,14H,21H2,1-4H3/p+1/t14-/m0/s1