(2,4-dimethylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C17H22NO+ MolecularWeight: 256.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH2+]C2CCCC3=C2C=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH2+][C@H]2CCCC3=C2C=CO3)C

InChI

InChI=1S/C17H21NO/c1-12-6-7-14(13(2)10-12)11-18-16-4-3-5-17-15(16)8-9-19-17/h6-10,16,18H,3-5,11H2,1-2H3/p+1/t16-/m0/s1