dimethyl-[2-[3-[(5-methylpyrazin-2-yl)carbonyl-phenethyl-amino]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[(5-methylpyrazin-2-yl)carbonyl-phenethyl-amino]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[(5-methylpyrazine-2-carbonyl)-phenethyl-amino]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[3-[[(5-methyl-2-pyrazinyl)-oxomethyl]-phenethylamino]-1-oxopropyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[(5-methylpyrazine-2-carbonyl)-phenethylamino]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[(5-methylpyrazinoyl)-phenethyl-amino]propanoylamino]ethyl]ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H29N5O2/c1-17-15-24-19(16-23-17)21(28)26(12-9-18-7-5-4-6-8-18)13-10-20(27)22-11-14-25(2)3/h4-8,15-16H,9-14H2,1-3H3,(H,22,27)/p+1