[(1R)-1-(1-adamantyl)ethyl]-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-allyl-4-ethoxy-5-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-allyl-4-ethoxy-5-methoxy-benzyl)ammonium Formula: C25H38NO2+ MolecularWeight: 384.57472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3)CC=C

InChI

InChI=1S/C25H37NO2/c1-5-7-22-11-21(12-23(27-4)24(22)28-6-2)16-26-17(3)25-13-18-8-19(14-25)10-20(9-18)15-25/h5,11-12,17-20,26H,1,6-10,13-16H2,2-4H3/p+1/t17-,18?,19?,20?,25?/m1/s1