N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-6-(4-methoxyphenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N2O3/c1-4-6-19-18(15-7-11-17(27-3)12-8-15)13-14-20-22(19)28-21(5-2)25(20)23(26)24-16-9-10-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3/p+1